SpectraBase Spectrum ID |
3iX9juD5dAw |
Name |
Tricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3-(4-hydroxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.141244501 u |
Formula |
C17H20O3 |
InChI |
InChI=1S/C17H20O3/c18-14-3-1-13(2-4-14)16-6-11-5-12(7-16)9-17(8-11,10-16)15(19)20/h1-4,11-12,18H,5-10H2,(H,19,20)/t11-,12+,16+,17- |
InChIKey |
VOIFCTZBZXPLPQ-PRRDBKRISA-N |
SMILES |
C1[C@@]2(C[C@]3(C[C@@](C2)(C[C@@]1(C3)[H])C(O)=O)C1=CC=C(C=C1)O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820945 |